SCHEMBL6532478

SCHEMBL6532478

COC(=O)C(Cc1ccc(OCc2cnn(-c3ccccc3)c2C)cc1)/C(C)=N/OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.43
PPARA Q07869 14/20 0.43
LTA4H P09960 1/20 0.42
PPARD Q03181 2/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
ALOX5 P09917 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6532483 1.00 PPARG (0.43) PPARGPPARALTA4HPPARDNPC1
SCHEMBL6533954 0.93 PPARG (0.49) PPARGPPARAALOX5
SCHEMBL6532459 0.93 PPARG (0.49) PPARGPPARAALOX5
SCHEMBL6532843 0.85 PPARG (0.55) PPARGPPARA
SCHEMBL6532379 0.80 LTA4H (0.43) PPARGPPARALTA4HPPARDNPC1
SCHEMBL6532376 0.80 LTA4H (0.43) PPARGPPARALTA4HPPARDNPC1
SCHEMBL6532104 0.78 LTA4H (0.43) PPARGPPARALTA4HPPARDNPC1
SCHEMBL6532682 0.78 LTA4H (0.43) PPARGPPARALTA4HPPARDNPC1
SCHEMBL6532687 0.78 LTA4H (0.43) PPARGPPARALTA4HPPARDNPC1
SCHEMBL6532098 0.78 LTA4H (0.43) PPARGPPARALTA4HPPARDNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO claimed
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO disclosed